4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol

C116H82ClN25O3 — CID 161046258

IUPAC4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESCc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Clc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.c1ccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C25H19N5O.C24H17N5O.C23H14ClN5.C23H15N5.C21H17N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20;30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19;24-18-6-3-7-20-22(18)27-23(26-20)21-16-10-13(8-9-19(16)28-29-21)17-12-25-11-14-4-1-2-5-15(14)17;1-2-6-16-15(5-1)12-24-13-18(16)14-9-10-19-17(11-14)22(28-27-19)23-25-20-7-3-4-8-21(20)26-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30);1-12,30H,13H2,(H,26,27)(H,28,29);1-12H,(H,26,27)(H,28,29);1-13H,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyUBNPBNOPYPJVES-UHFFFAOYSA-N
MW1909.56 g/mol
LogP24.94
Rot. Bonds14

About 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol

4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol (PubChem CID 161046258) has the molecular formula C116H82ClN25O3 and a molecular weight of 1909.56 g/mol. Its IUPAC name is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
PubChem CID161046258
Molecular FormulaC116H82ClN25O3
Molecular Weight1909.56 g/mol
Exact Mass1907.67
IUPAC Name4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol
SMILESCc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Clc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.c1ccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C25H19N5O.C24H17N5O.C23H14ClN5.C23H15N5.C21H17N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20;30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19;24-18-6-3-7-20-22(18)27-23(26-20)21-16-10-13(8-9-19(16)28-29-21)17-12-25-11-14-4-1-2-5-15(14)17;1-2-6-16-15(5-1)12-24-13-18(16)14-9-10-19-17(11-14)22(28-27-19)23-25-20-7-3-4-8-21(20)26-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30);1-12,30H,13H2,(H,26,27)(H,28,29);1-12H,(H,26,27)(H,28,29);1-13H,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26)
InChIKeyUBNPBNOPYPJVES-UHFFFAOYSA-N
XLogP24.94
TPSA411.94 Ų
H-Bond Donors13
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001909.56
LogP ≤ 524.94
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1018

Analyze 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(6-chloro-2-pyridin-2-yl-3H-benzimidazol-5-yl)methanol;4,6-dichloro-2-pyridin-2-yl-1H-benzimidazole;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole
CID 162161681
2-[2-[5-isoquinolin-4-yl-1-[[[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methyl-methylamino]methyl]indazol-3-yl]-1H-benzimidazol-4-yl]ethanol
CID 146262284
CID 157287050
CID 157287050
4-tert-butyl-7-chloro-5-methyl-1H-indazole;4-tert-butyl-5-cyclopropyl-1H-indazol-3-amine;4-tert-butyl-3-ethyl-5-methyl-2H-indazole;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-5-methyl-1H-pyrazolo[3,4-c]pyridine;4-tert-butyl-1H-pyrazolo[3,4-b]pyridine;4-tert-butyl-1H-pyrazolo[5,4-c]pyridine;4-tert-butyl-1H-pyrrolo[2,3-b]pyridine;8-tert-butylquinolin-6-ol
CID 157350573
[2-[5-isoquinolin-4-yl-1-[(4-methoxyphenyl)methyl]indazol-3-yl]-1H-benzimidazol-4-yl]methanol;4-[1-[(4-methoxyphenyl)methyl]-3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]indazol-5-yl]isoquinoline;pyrrolidine;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline
CID 157383395
CID 157528396
CID 157528396
4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]cyclohexan-1-ol;1-[[5-[3-(7-piperazin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]piperidin-4-ol;7-piperazin-1-yl-2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;7-piperazin-1-yl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine
CID 157659461
3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;(E)-3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]prop-2-en-1-ol;3-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;(E)-3-[5-[3-(1H-benzimidazol-2-yl)-1-methylindazol-5-yl]-4-methyl-3-pyridinyl]prop-2-en-1-ol
CID 157884116
4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;5-nitro-3-phenyl-1H-indazole;5-nitro-3-(1H-pyrrol-2-yl)-1H-indazole;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline;3-phenyl-5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-3-(1H-pyrrol-2-yl)-1H-indazole
CID 157991332
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-benzylisoquinolin-8-amine;3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]propan-1-ol;5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-1,2,3,4-tetrahydro-1,7-naphthyridine;3-(1H-benzimidazol-2-yl)-5-(1H-indol-5-yl)-1H-indazole;1-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]-N-methylethanamine
CID 158067419
[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methyl]morpholine;morpholine
CID 158209215
1-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]-N,N-dimethylmethanamine;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol
CID 158409085

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The IUPAC name of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol (CID 161046258) is 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol.
What is the SMILES notation for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The canonical SMILES for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol is Cc1c(CO)cncc1-c1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1.Clc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.OCc1cccc2[nH]c(-c3n[nH]c4ccc(-c5cncc6ccccc56)cc34)nc12.c1ccc2c(-c3ccc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc2c1.
What is the InChIKey of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
The InChIKey is UBNPBNOPYPJVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O.C24H17N5O.C23H14ClN5.C23H15N5.C21H17N5O/c31-11-10-15-5-3-7-22-23(15)28-25(27-22)24-19-12-16(8-9-21(19)29-30-24)20-14-26-13-17-4-1-2-6-18(17)20;30-13-16-5-3-7-21-22(16)27-24(26-21)23-18-10-14(8-9-20(18)28-29-23)19-12-25-11-15-4-1-2-6-17(15)19;24-18-6-3-7-20-22(18)27-23(26-20)21-16-10-13(8-9-19(16)28-29-21)17-12-25-11-14-4-1-2-5-15(14)17;1-2-6-16-15(5-1)12-24-13-18(16)14-9-10-19-17(11-14)22(28-27-19)23-25-20-7-3-4-8-21(20)26-23;1-12-14(11-27)9-22-10-16(12)13-6-7-17-15(8-13)20(26-25-17)21-23-18-4-2-3-5-19(18)24-21/h1-9,12-14,31H,10-11H2,(H,27,28)(H,29,30);1-12,30H,13H2,(H,26,27)(H,28,29);1-12H,(H,26,27)(H,28,29);1-13H,(H,25,26)(H,27,28);2-10,27H,11H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol?
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol has a molecular weight of 1909.56 g/mol, XLogP of 24.94, 14 rotatable bonds, 13 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]methanol;4-[3-(4-chloro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]isoquinoline;2-[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]ethanol;[2-(5-isoquinolin-4-yl-1H-indazol-3-yl)-1H-benzimidazol-4-yl]methanol is sourced from PubChem (CID 161046258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).